SCHEMBL14775718

SCHEMBL14775718

COC(=O)c1cc(OC(CF)CF)ccc1NC1CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.42
MAPT P10636 1/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
NOS3 P29474 2/20 0.35
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
PLK4 O00444 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL100237 0.87 ALDH1A1 (0.53) MAPTALDH1A1
SCHEMBL474222 0.85 YAP1 (0.42) YAP1MAPTKDM4EALDH1A1LMNA
SCHEMBL474209 0.80 CACNA1B (0.45) YAP1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL474154 0.74 ALDH1A1 (0.40) YAP1MAPTALDH1A1LMNA
SCHEMBL100685 0.73 ALDH1A1 (0.53) MAPTALDH1A1
SCHEMBL16528488 0.71 MAPT (0.45) MAPTKDM4EALDH1A1LMNAHSD17B10
SCHEMBL22588134 0.71 NOS1 (0.47) MAPTALDH1A1HSD17B10GAANOS1
SCHEMBL99959 0.70 PRMT5 (0.55) YAP1MAPTKDM4EALDH1A1
SCHEMBL15648246 0.69 OPRK1 (0.43) YAP1
SCHEMBL13281830 0.69 OPRK1 (0.41) YAP1MAPTKDM4EALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205593-B1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-01-13 EP disclosed
EP-2416777-B1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI SA (FR) 2014-11-12 EP disclosed
EP-2411009-B1 Therapeutic uses of quinazolinedione derivatives SANOFI SA (FR) 2013-03-20 EP disclosed